N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline

C31H25F3N2 — CID 141120011

IUPACN-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C31H25F3N2/c1-36(21-23-12-6-3-7-13-23)26-15-8-14-24(19-26)29-25(18-22-10-4-2-5-11-22)20-35-30-27(29)16-9-17-28(30)31(32,33)34/h2-17,19-20H,18,21H2,1H3
InChIKeyBVROQLOKAZMBTQ-UHFFFAOYSA-N
MW482.55 g/mol
LogP8.15
Rot. Bonds6

About N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline

N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline (PubChem CID 141120011) has the molecular formula C31H25F3N2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline
PubChem CID141120011
Molecular FormulaC31H25F3N2
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC NameN-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C31H25F3N2/c1-36(21-23-12-6-3-7-13-23)26-15-8-14-24(19-26)29-25(18-22-10-4-2-5-11-22)20-35-30-27(29)16-9-17-28(30)31(32,33)34/h2-17,19-20H,18,21H2,1H3
InChIKeyBVROQLOKAZMBTQ-UHFFFAOYSA-N
XLogP8.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylanilino]methyl]phenyl]acetic acid
CID 66914197
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(2,6-dichloro-4-pyridinyl)methyl]aniline
CID 86598800
2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226692
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(6-chloro-3-pyridinyl)methyl]aniline
CID 86598764
2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 68878996
3-benzyl-4-[3-[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 68942134
2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 24936142
[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-[2-(trifluoromethoxy)phenyl]methanamine
CID 87202430
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]-2,5-dimethylphenyl]acetic acid
CID 25225786
2-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]-4-bromophenol
CID 66913716
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]phenyl]-2-hydroxyacetic acid
CID 68814496
3-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]propanoic acid
CID 66914153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline?
The IUPAC name of N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline (CID 141120011) is N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline.
What is the SMILES notation for N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline?
The canonical SMILES for N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline is CN(Cc1ccccc1)c1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline?
The InChIKey is BVROQLOKAZMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N2/c1-36(21-23-12-6-3-7-13-23)26-15-8-14-24(19-26)29-25(18-22-10-4-2-5-11-22)20-35-30-27(29)16-9-17-28(30)31(32,33)34/h2-17,19-20H,18,21H2,1H3.
What are the key properties of N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline?
N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline has a molecular weight of 482.55 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline is sourced from PubChem (CID 141120011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).